[CP2K-user] Cholesky decompose failed

[Espen Tangen]

Hi all. Please help. 

Seems that I am at the very start again.  I have compiled binaries popt and psmp both with intel 2017.0.4 compiler and everything works fine for test H2O-32 and H2O-128 with single node running mpirun. For some odd reason, I get either the previously reported error or the above mentioned error when I try to run mpirun or srun on two nodes. 

This holds for both popt and psmp. Funny thing is, for intel compiler 2018.0.1 release this vanishes for popt but persists for psmp.

Anyone who may point me in the right direction?



Et.